UCSF

ZINC40432837

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.09 3.9 -8.22 1 5 0 72 370.652 5
Hi High (pH 8-9.5) 3.09 4 -35.34 0 5 -1 75 369.644 5

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )